N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-(2-phenylanilino)propanamide

C24H30N2O — CID 4966114

IUPACN-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-(2-phenylanilino)propanamide
SMILESCC(Nc1ccccc1-c1ccccc1)C(=O)NC(C)C1CC2CCC1C2
InChIInChI=1S/C24H30N2O/c1-16(22-15-18-12-13-20(22)14-18)26-24(27)17(2)25-23-11-7-6-10-21(23)19-8-4-3-5-9-19/h3-11,16-18,20,22,25H,12-15H2,1-2H3,(H,26,27)
InChIKeyYYVZRCWKGPBHRM-UHFFFAOYSA-N
MW362.52 g/mol
LogP5.09
Rot. Bonds6

About N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-(2-phenylanilino)propanamide

N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-(2-phenylanilino)propanamide (PubChem CID 4966114) has the molecular formula C24H30N2O and a molecular weight of 362.52 g/mol. Its IUPAC name is N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-(2-phenylanilino)propanamide.

Molecular Properties

Compound NameN-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-(2-phenylanilino)propanamide
PubChem CID4966114
Molecular FormulaC24H30N2O
Molecular Weight362.52 g/mol
Exact Mass362.24
IUPAC NameN-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-(2-phenylanilino)propanamide
SMILESCC(Nc1ccccc1-c1ccccc1)C(=O)NC(C)C1CC2CCC1C2
InChIInChI=1S/C24H30N2O/c1-16(22-15-18-12-13-20(22)14-18)26-24(27)17(2)25-23-11-7-6-10-21(23)19-8-4-3-5-9-19/h3-11,16-18,20,22,25H,12-15H2,1-2H3,(H,26,27)
InChIKeyYYVZRCWKGPBHRM-UHFFFAOYSA-N
XLogP5.09
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.52
LogP ≤ 55.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-(2-phenylanilino)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R)-2-(4-acetamidoanilino)-N-[(1R)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]propanamide
CID 98613619
2-[2-[[(1R)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]amino]-2-oxoethyl]sulfanyl-N-(2-phenylphenyl)benzamide
CID 98299910
1-[(1S)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-3-(2-bromophenyl)urea
CID 98448632
3-[[1-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-1-oxopropan-2-yl]amino]-N-methylbenzamide
CID 42916747
phenyl N-[(1S)-1-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]carbamate
CID 98080564
1-[(1S)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-3-phenylurea
CID 98258446
1-[(1S)-1-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]-3-(2-methoxyphenyl)urea
CID 98159873
1-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-naphthalen-1-ylurea
CID 18285320
1-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-(2,3-dimethylphenyl)urea
CID 6465340
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-3,3-diphenylpropanamide
CID 4526880
(2S)-N-[(1R)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-[2-nitro-4-(trifluoromethyl)anilino]propanamide
CID 98649783
(E)-N-[(1S)-1-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]-3-phenylprop-2-enamide
CID 98510446

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-(2-phenylanilino)propanamide?
The IUPAC name of N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-(2-phenylanilino)propanamide (CID 4966114) is N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-(2-phenylanilino)propanamide.
What is the SMILES notation for N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-(2-phenylanilino)propanamide?
The canonical SMILES for N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-(2-phenylanilino)propanamide is CC(Nc1ccccc1-c1ccccc1)C(=O)NC(C)C1CC2CCC1C2.
What is the InChIKey of N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-(2-phenylanilino)propanamide?
The InChIKey is YYVZRCWKGPBHRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N2O/c1-16(22-15-18-12-13-20(22)14-18)26-24(27)17(2)25-23-11-7-6-10-21(23)19-8-4-3-5-9-19/h3-11,16-18,20,22,25H,12-15H2,1-2H3,(H,26,27).
What are the key properties of N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-(2-phenylanilino)propanamide?
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-(2-phenylanilino)propanamide has a molecular weight of 362.52 g/mol, XLogP of 5.09, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-(2-phenylanilino)propanamide is sourced from PubChem (CID 4966114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).